Dataset

Dronabinol[5]

This dataset contains NMR spectra obtained for the sample containing Dronabinol

Chemical Information

molecular Image

InChI	InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
SMILES	CCCCCC1=CC2=C(C(O)=C1)[C@H]1C=C(C)CC[C@@H]1C(C)(C)O2
InChI Key	CYQFCXCEBYINGO-IAGOWNOFSA-N
Molecular Formula	C21H30O2
Exact Mass	314.500 g/mol

Data and Resources

Dronabinol[5]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p42.s1325.d5845
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D5845
Version
Author	Peter Spiteller
Maintainer
Language	english
MetadataPublished	2025-08-31T17:42:30.000000Z
Related Molecule

Field	Value
Measurement Technique
Measurement Variables	NMR solvent : acquisition nucleus : NMR spectrum by dimensionality : NMR probe : Temperature : K magnetic field strength : Tesla number of scans : scans nuclear magnetic resonance pulse sequence : Spectral Width : number of data points : points relaxation time measurement : seconds

Data-Source Molecule ID	Data-Source
DB00470	drugbank
CHEBI:66964	chebi
LMPK13120004	lipidmaps
TCI	rcsb_pdb
CHEMBL465	chembl
29390424	surechembl
4609	surechembl
16078	pubchem
7J8897W37S	fdasrs
TCI	pdbe
PD010009	probes_and_drugs
135425	brenda
224503	brenda
HMDB0014613	hmdb
4109	drugcentral
50007391	bindingdb
60994	bindingdb
The data in this table is sourced from UniChem at EBI.